BIS(2,2,2-TRICHLOROETHYL) PHOSPHOROCHLORIDATE

Base Information

• Chemical Name: BIS(2,2,2-TRICHLOROETHYL) PHOSPHOROCHLORIDATE
• CAS No.: 17672-53-6
• Molecular Formula: C4H4 Cl7 O3 P
• Molecular Weight: 379.219
• Hs Code.: 29209085
• European Community (EC) Number: 241-650-7
• DSSTox Substance ID: DTXSID90170180
• Nikkaji Number: J287.111D
• Wikidata: Q83040063
• Mol file: 17672-53-6.mol

Synonyms:Ethanol,2,2,2-trichloro-, phosphorochloridate (2:1) (8CI); Bis(2,2,2-trichloroethyl)chlorophosphate; Bis(2,2,2-trichloroethyl) phosphorochloridate

Chemical Property of BIS(2,2,2-TRICHLOROETHYL) PHOSPHOROCHLORIDATE

Chemical Property:

• Vapor Pressure: 8.55E-05mmHg at 25°C
• Melting Point: 45-47 °C(lit.)
• Boiling Point: 351°Cat760mmHg
• Flash Point: 240.1°C
• PSA: 45.34000
• Density: 1.795g/cm³
• LogP: 5.10690
• Storage Temp.: −20°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 377.768825
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bis(2,2,2-trichloroethyl) phosphorochloridate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(Cl)(Cl)Cl)OP(=O)(OCC(Cl)(Cl)Cl)Cl
• Uses: Bis(2,2,2-trichloroethyl) phosphorochloridate was used in the preparation of epimeric 6-deoxyhexofuranosyl nucleoside 5′ -phosphate.

Technology Process of BIS(2,2,2-TRICHLOROETHYL) PHOSPHOROCHLORIDATE

There total 3 articles about BIS(2,2,2-TRICHLOROETHYL) PHOSPHOROCHLORIDATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.1%

dichloro-(2,2,2-trichloroethoxy)phosphorane (73954-65-1) → bis-(2,2,2-trichloroethyl)phosphorochloridate (17672-53-6)

Guidance literature:

at 130 ℃; for 1h; under 0.05 Torr;

Reference yield:

trichloroethyl alcohol → bis-(2,2,2-trichloroethyl)phosphorochloridate (17672-53-6)

Guidance literature:

Reference yield:

→ bis-(2,2,2-trichloroethyl)phosphorochloridate (17672-53-6)

Guidance literature:

2,2,2-Trichlorethyl-phosphordichloridat + 2,2,2-Trichlorethanol.;

DOI:10.1016/0009-3084(79)90081-1

upstream raw materials:

dichloro-(2,2,2-trichloroethoxy)phosphorane

Downstream raw materials:

1,2-O-isopropylidene-3-O-bis(2,2,2-trichloroethoxy)phosphoryl-5-O-trityl-α-D-ribofuranose

{(1S,2S)-2-[Bis-(2,2,2-trichloro-ethoxy)-phosphoryloxy]-1-phenyl-propyl}-carbamic acid tert-butyl ester

Z-Arg(PO₃Tc₂)-OBn